Glycoside
...
GD029117

Name:
None

Formula:
C49H84O14N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)CCO3)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc3c(c2)CCO3)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.84
AlogP: 3.42 Num_rotatable_bonds: 12
MolWt: 953.22 Num_heavy_atoms: 67
TPSA: 230.44 NumAromaticRings: 1

Unique Aglycone
AD18979
Formula: C41H70O11N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc3c(c2)CCO3)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 2.49 Num_rotatable_bonds: 9
MolWt: 795.03 Num_heavy_atoms: 56
TPSA: 202.75 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O