Glycoside
...
GD035549

Name:
None

Formula:
C65H68O26N6

Smiles:
COc1cc([C@H]2c3cc4c(cc3[C@@H](n3cc(COCC(COCc5cn([C@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@@H]7C(=O)OC[C@H]76)OCO8)nn5)O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O

Aglycone:
COC(C)=O.COc1cc(C2c3cc4c(cc3C(n3cc(COCC(O)COCc5cn(C6c7cc8c(cc7C(c7cc(OC)c(O)c(OC)c7)C7C(=O)OCC76)OCO8)nn5)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 32 RingCount: 13
HBD: 2 FractionCSP3: 0.48
AlogP: 4.02 Num_rotatable_bonds: 23
MolWt: 1349.28 Num_heavy_atoms: 97
TPSA: 370.44 NumAromaticRings: 6

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD09942
Formula: C51H50O17N6

Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(COCC(O)COCc5cn(C6c7cc8c(cc7C(c7cc(OC)c(O)c(OC)c7)C7C(=O)OCC76)OCO8)nn5)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O
HBA: 23 RingCount: 12
HBD: 3 FractionCSP3: 0.41
AlogP: 3.92 Num_rotatable_bonds: 16
MolWt: 1018.99 Num_heavy_atoms: 74
TPSA: 267.01 NumAromaticRings: 6

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O