Glycoside
...
GD156785

Name:
4-hydroxy-1-(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-3a,6,6,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde

Formula:
C42H68O15

Smiles:
CC(C)=CC(OC1OC(CO)C(O)C(O)C1O)C(O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C=O)CCC12C

Aglycone:
CC(C)=CC(O)C(O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 10 FractionCSP3: 0.88
AlogP: 0.07 Num_rotatable_bonds: 11
MolWt: 812.99 Num_heavy_atoms: 57
TPSA: 256.29 NumAromaticRings: 0

Unique Aglycone
AD62042
Formula: C30H48O5

Smiles:
CC(C)=CC(O)C(O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 4.43 Num_rotatable_bonds: 5
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00019

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