Glycoside
...
GD029585

Name:
MOUDANPIOSIDE B

Formula:
C31H34O14

Smiles:
COc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@]34C[C@@H]5[C@@]3(COC(=O)c3ccc(O)cc3)[C@@H]3O[C@@]4(C)C[C@@]5(O)O3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O.COC(=O)c1ccc(OC)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 9
HBD: 5 FractionCSP3: 0.55
AlogP: 0.22 Num_rotatable_bonds: 9
MolWt: 630.6 Num_heavy_atoms: 45
TPSA: 199.9 NumAromaticRings: 2

Unique Aglycone
AD02530
Formula: C9H10O3

Smiles:
COC(=O)c1ccc(OC)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.22
AlogP: 1.48 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 35.53 NumAromaticRings: 1
AD08969
Formula: C17H18O7

Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O
HBA: 7 RingCount: 7
HBD: 3 FractionCSP3: 0.59
AlogP: 0.52 Num_rotatable_bonds: 3
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O