Glycoside
...
GD150390

Name:
4-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanal

Formula:
C45H76O20

Smiles:
CC(CC(O)C=O)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(O)(CC(O)C=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 13 FractionCSP3: 0.98
AlogP: -2.82 Num_rotatable_bonds: 13
MolWt: 937.08 Num_heavy_atoms: 65
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD60078
Formula: C27H46O5

Smiles:
CC(O)(CC(O)C=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.96
AlogP: 3.7 Num_rotatable_bonds: 4
MolWt: 450.66 Num_heavy_atoms: 32
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O