Glycoside
...
GD131997

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3b,6,6,11a-tetramethyl-1-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C47H78O17

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CCC21C=O

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(O)CCC21C=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.94
AlogP: 0.82 Num_rotatable_bonds: 13
MolWt: 915.12 Num_heavy_atoms: 64
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD53449
Formula: C30H50O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(O)CCC21C=O
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 6.71 Num_rotatable_bonds: 5
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00544

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O