Glycoside
...
GD011919

Name:
None

Formula:
C59H91O20N2P

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(C)=O)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)O.O=P(O)(Oc1ccccc1)Oc1ccccc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 8.11 Num_rotatable_bonds: 18
MolWt: 1179.34 Num_heavy_atoms: 82
TPSA: 268.91 NumAromaticRings: 2

Unique Aglycone
AD06126
Formula: C12H11O4P

Smiles:
O=P(O)(Oc1ccccc1)Oc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.24 Num_rotatable_bonds: 4
MolWt: 250.19 Num_heavy_atoms: 17
TPSA: 55.76 NumAromaticRings: 2
AD09035
Formula: C39H68O14N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(C)=O)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)O
HBA: 16 RingCount: 2
HBD: 4 FractionCSP3: 0.87
AlogP: 2.9 Num_rotatable_bonds: 9
MolWt: 788.97 Num_heavy_atoms: 55
TPSA: 216.69 NumAromaticRings: 0

Sugarmoiety
SD00005

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