Glycoside
...
GD020190

Name:
None

Formula:
C156H212O32N28

Smiles:
C[C@@H]1O[C@H](OCc2cn(CCCCCC(=O)N(Cc3cn(CCCOc4c5cc(C(C)(C)C)cc4Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(OCc6ccccc6)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(OCc6ccccc6)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(OCc6ccccc6)C(=O)CCCCCn6cc(CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)nn6)nn4)C5)nn3)OCc3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(C)c1cc2c(OCCCn3cc(CN(OCc4ccccc4)C(=O)CCCCCn4cc(CO)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)C2

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 60 RingCount: 21
HBD: 12 FractionCSP3: 0.56
AlogP: 14.42 Num_rotatable_bonds: 76
MolWt: 2991.58 Num_heavy_atoms: 216
TPSA: 717.36 NumAromaticRings: 16

Unique Aglycone
AD13980
Formula: C132H172O16N28

Smiles:
CC(C)(C)c1cc2c(OCCCn3cc(CN(OCc4ccccc4)C(=O)CCCCCn4cc(CO)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(OCc3ccccc3)C(=O)CCCCCn3cc(CO)nn3)nn1)C2
HBA: 44 RingCount: 17
HBD: 4 FractionCSP3: 0.48
AlogP: 19.01 Num_rotatable_bonds: 68
MolWt: 2407.01 Num_heavy_atoms: 176
TPSA: 481.68 NumAromaticRings: 16

Sugarmoiety
SD01587

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O