Glycoside
...
GD131139

Name:
Rhoipteleanin I

Formula:
C57H44O32

Smiles:
O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3c1cc(OC2OC(CO)C(O)C(O)C2O)c2ccccc2c1O)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3c1cc(O)c2ccccc2c1O)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 20 FractionCSP3: 0.21
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 1240.95 Num_heavy_atoms: 89
TPSA: 554.56 NumAromaticRings: 7

Unique Aglycone
AD53137
Formula: C51H34O27

Smiles:
O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3c1cc(O)c2ccccc2c1O)c1cc(O)c(O)c(O)c1
HBA: 27 RingCount: 10
HBD: 17 FractionCSP3: 0.12
AlogP: 4.0 Num_rotatable_bonds: 4
MolWt: 1078.81 Num_heavy_atoms: 78
TPSA: 475.41 NumAromaticRings: 7

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O